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	hartrees
Energy at 0K	-93.281160
Energy at 298.15K	-93.281261
HF Energy	-92.906384
Nuclear repulsion energy	23.766975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3489	3312	72.06	29.07	0.21	0.35
2	Σ	2044	1941	0.32	30.99	0.14	0.24
3	Π	729	692	35.95	0.16	0.75	0.86
3	Π	729	692	35.95	0.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.506
H2	0.000	0.000	-1.565
N3	0.000	0.000	0.657

	C1	H2	N3
C1		1.0594	1.1634
H2	1.0594		2.2228
N3	1.1634	2.2228

All results from a given calculation for HCN (Hydrogen cyanide)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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